Publications

Introducing VIKING: A Novel Online Platform for Multiscale Modeling, Vasili Korol, Peter Husen, Emil Sjulstok, Claus Nielsen, Ida Friis, Anders Frederiksen, Adrian Bøgh Salo, Ilia A. Solov'yov, ACS Omega, 5, 1254-1260, (2020)
Binding of dipeptidyl peptidase III to the oxidative stress cell sensor Kelch-like ECH-associated protein 1 is a two-step process, Sara Matić, Ivana Kekez, Marko Tomin, Ferenc Bogár, Filip Šupljika, Saša Kazazić, Maja Hanić, Shalinee Jha, Hrvoje Brkić, Benjamin Bourgeois, Tobias Madl, Karl Gruber, Peter Macheroux, Dubravka Matković-Čalogović, Mihaela Matovina, Sanja Tomić, Journal of Biomolecular Structure and Dynamics, (2020)
Electronic Transitions in Different Redox States of Trinuclear 5,6,11,12,17,18-Hexaazatrinaphthylene-Bridged Titanium Complexes: Spectroelectrochemistry and Quantum Chemistry, A. Markovic, L. Gerhards, P. Sander, C. Dosche, Thorsten Klüner, R. Beckhaus, G. Wittstock, ChemPhysChem, 21, 2506-2514, (2020)
Photodesorption mechanism of water on WO3(001) - a combined embedded cluster, computational intelligence and wave packet approach, Thomas Teusch, Thorsten Klüner, Physical Chemistry Chemical Physics, 22, 19267-19274, (2020)
2019
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Molecular Oxygen Binding in the Mitochondrial Electron Transfer Flavoprotein, Peter Husen, Claus Nielsen, Carlos F. Martino, Ilia A. Solov'yov, Journal of Chemical Information and Modeling, 59, 4868-4879, (2019)
MolSpin — Flexible and extensible general spin dynamics software, Claus Nielsen, Ilia A. Solov'yov, Journal of Physical Chemistry, 151, 194105-(1-13), (2019)
Prechondrogenic ATDC5 cell attachment and differentiation on graphene foam; modulation by surface functionalization with fibronectin, Stephanie M Frahs, Jonathon C Reeck, Katie M. Yocham, Anders Frederiksen, Kiyo Fujimoto, Crystal M Scott, Richard S Beard, Raquel Brown, Trevor J Lujan, Ilia A. Solov'yov, David Estrada, Julia Thom Oxford, ACS Applied Materials and Interfaces, 11, 41906-41924, (2019)
Modeling elastic properties of polystyrene through coarse-grained molecular dynamics simulations, Yaroslav M. Beltukov, Igor Gula, Alexander M. Samsonov, Ilia A. Solov'yov, European Physical Journal D, 73, 226-238, (2019)
Towards predicting intracellular radiofrequency radiation effects, Claus Nielsen, Ron Hui, Wing-Yee Lui, Ilia A. Solov'yov, PLoS ONE, 14, e0213286, (2019)